5-[2-(dimethylamino)ethyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-amine

C9H16N4S — CID 82194364

IUPAC5-[2-(dimethylamino)ethyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-amine
SMILESCN(C)CCN1Cc2nc(N)sc2C1
InChIInChI=1S/C9H16N4S/c1-12(2)3-4-13-5-7-8(6-13)14-9(10)11-7/h3-6H2,1-2H3,(H2,10,11)
InChIKeyZUEFKLIMUHZPAB-UHFFFAOYSA-N
MW212.32 g/mol
LogP0.60
Rot. Bonds3

About 5-[2-(dimethylamino)ethyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-amine

5-[2-(dimethylamino)ethyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-amine (PubChem CID 82194364) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-amine.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-amine
PubChem CID82194364
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name5-[2-(dimethylamino)ethyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-amine
SMILESCN(C)CCN1Cc2nc(N)sc2C1
InChIInChI=1S/C9H16N4S/c1-12(2)3-4-13-5-7-8(6-13)14-9(10)11-7/h3-6H2,1-2H3,(H2,10,11)
InChIKeyZUEFKLIMUHZPAB-UHFFFAOYSA-N
XLogP0.60
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-amine?
The IUPAC name of 5-[2-(dimethylamino)ethyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-amine (CID 82194364) is 5-[2-(dimethylamino)ethyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-amine.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-amine?
The canonical SMILES for 5-[2-(dimethylamino)ethyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-amine is CN(C)CCN1Cc2nc(N)sc2C1.
What is the InChIKey of 5-[2-(dimethylamino)ethyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-amine?
The InChIKey is ZUEFKLIMUHZPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-12(2)3-4-13-5-7-8(6-13)14-9(10)11-7/h3-6H2,1-2H3,(H2,10,11).
What are the key properties of 5-[2-(dimethylamino)ethyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-amine?
5-[2-(dimethylamino)ethyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-amine has a molecular weight of 212.32 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-amine is sourced from PubChem (CID 82194364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).